Geometry & MOs

Info

ID:	303460
PubChem CID:	124489759
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	4.63
IP(EA), eV:	-9.26(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-3-[5-(2-aminoethyl)thiophen-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]2(CCC(=O)N2C3=CC(=CC=C3)F)CCN1

DOS

IR

Vibrations